Integral equation algorithm for fluids of fully anisotropic molecules
- 1 July 1995
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 103 (1) , 481-484
- https://doi.org/10.1063/1.469615
Abstract
We outline a practical algorithm for the solution of liquid-state integral equations for fluids of fully anisotropic rigid molecules requiring three Euler angles for their configurational description and leading to pair functions of five angular variables. The method is suitable for all potentials. We illustrate the technique with sample results for SO2.Keywords
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